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10. Initial corrosion observed on the atomic scale

Author

Renner, F. U., Stierle, A., Dosch, H., Kolb, D. M., Lee, T.-L., and Zegenhagen, J.

Subjects
Environmental issues, Science and technology, Zoology and wildlife conservation
Abstract

Author(s): F. U. Renner (corresponding author) [1, 2]; A. Stierle [1]; H. Dosch [1]; D. M. Kolb [3]; T.-L. Lee [2]; J. Zegenhagen [2] Corrosion destroys more than three per [...]

Published
2006
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26. Energy-level alignment at strongly coupled organic-metal interfaces

Author

Chen, M. T., Hofmann, O., Gerlach, A., Bröker, B., Bürker, C., Niederhausen, J., Hosokai, T., Zegenhagen, J., Vollmer, A., Rieger, R., Müllen, K., Schreiber, F., Salzmann, I., Koch, N., Zojer, E., and Duhm, S.

Subjects
Large scale facilities for research with photons neutrons and ions
Abstract

Energy-level alignment at organic-metal interfaces plays a crucial role for the performance of organic electronic devices. However, reliable models to predict energetics at strongly coupled interfaces are still lacking. We elucidate contact formation of 1,2,5,6,9,10-coronenehexone (COHON) to the (1 1 1)-surfaces of coinage metals by means of ultraviolet photoelectron spectroscopy, x-ray photoelectron spectroscopy, the x-ray standing wave technique, and density functional theory calculations. While for low COHON thicknesses, the work-functions of the systems vary considerably, for thicker organic films Fermi-level pinning leads to identical work functions of 5.2 eV for all COHON-covered metals irrespective of the pristine substrate work function and the interfacial interaction strength.

Published
2019

31. Impact of high temperature annealing on La diffusion and flatband voltage (Vfb) modulation in TiN/LaOx/HfSiON/SiON/Si gate stacks.

Author

Boujamaa, R., Baudot, S., Rochat, N., Pantel, R., Martinez, E., Renault, O., Detlefs, B., Zegenhagen, J., Loup, V., Martin, F., Gros-Jean, M., Bertin, F., and Dubourdieu, C.

Subjects
METALS, DIELECTRICS, ATOMS, MAGNETIC dipoles, METAL oxide semiconductor field-effect transistors, ELECTRIC potential
Abstract

We present a detailed analysis of the impact of high temperature annealing on the chemical and electronic properties of TiN/HfSixOyNz/SiOxNy/Si gate stacks, where an ultra-thin LaOx capping layer (0.4-1 nm) is inserted between the TiN metal gate and the HfSixOyNz dielectric. From our experimental results, we demonstrate that La atoms diffuse through the entire nitrided hafnium silicate and reach the SiOxNy interfacial layer to form a La-silicate. In addition, hard x-ray photoelectron spectroscopy analysis highlights the band alignments' shift of the gate stacks, which is well related to Vfb shifts based on an interfacial dipole and/or fixed charges model. Finally, this study reveals that the Vfb roll-off phenomenon is amplified with an increasing amount of La atoms near the substrate interface. A correlation between LaOx thickness and interface trap density (Dit) is observed, and a mechanism explaining the roll-off behavior is proposed. [ABSTRACT FROM AUTHOR]

Published
2012
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32. Origin of resistivity change in NiO thin films studied by hard x-ray photoelectron spectroscopy.

Author

Calka, P., Martinez, E., Lafond, D., Minoret, S., Tirano, S., Detlefs, B., Roy, J., Zegenhagen, J., and Guedj, C.

Subjects
NITRIC oxide, PHOTOELECTRON spectroscopy, ELECTRIC resistance, OXYGEN, NUCLEAR particle research
Abstract

We investigated origins of the resistivity change during the forming of NiO based resistive random access memories in a nondestructive way using hard x-ray photoelectron spectroscopy. Energy shifts and bandgap states observed after switching suggest that oxygen vacancies are created in the low resistive state. As a result conduction may occur via defects such as electrons traps and metallic nickel impurities. Migration of oxygen atoms seems to be the driving mechanism. This provides concrete evidence of the major role played by oxygen defects in decreasing resistivity. This is a key point since oxygen vacancies are particularly unstable and thus difficult to identify by physico-chemical analyses. [ABSTRACT FROM AUTHOR]

Published
2011
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33. Copper-phthalocyanine based metal-organic interfaces: The effect of fluorination, the substrate, and its symmetry.

Author

de Oteyza, D. G., El-Sayed, A., Garcia-Lastra, J. M., Goiri, E., Krauss, T. N., Turak, A., Barrena, E., Dosch, H., Zegenhagen, J., Rubio, A., Wakayama, Y., and Ortega, J. E.

Subjects
PHTHALOCYANINES, SURFACE chemistry, INTERFACES (Physical sciences), ORGANOMETALLIC chemistry, FLUORINATION, COPPER, MONOMOLECULAR films, SPECTRUM analysis
Abstract

Metal-organic interfaces based on copper-phthalocyanine monolayers are studied in dependence of the metal substrate (Au versus Cu), of its symmetry [hexagonal (111) surfaces versus fourfold (100) surfaces], as well as of the donor or acceptor semiconducting character associated with the nonfluorinated or perfluorinated molecules, respectively. Comparison of the properties of these systematically varied metal-organic interfaces provides new insight into the effect of each of the previously mentioned parameters on the molecule-substrate interactions. [ABSTRACT FROM AUTHOR]

Published
2010
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34. Structure and strain relaxation mechanisms of ultrathin epitaxial Pr2O3 films on Si(111).

Author

Schroeder, T., Lee, T.-L., Libralesso, L., Joumard, I., Zegenhagen, J., Zaumseil, P., Wenger, C., Lupina, G., Lippert, G., Dabrowski, J., and Müssig, H.-J.

Subjects
OPTICS, ELECTROMAGNETIC waves, PARTICLES (Nuclear physics), SYNCHROTRON radiation, X-ray diffraction, SILICON
Abstract

The structure of ultrathin epitaxial Pr2O3 films on Si(111) was studied by synchrotron radiation-grazing incidence x-ray diffraction. The oxide film grows as hexagonal Pr2O3 phase with its (0001) plane attached to the Si(111) substrate. The hexagonal (0001) Pr2O3 plane matches the in-plane symmetry of the hexagonal Si(111) surface unit cell by aligning the (10&1bar;0)Pr2O3 along the (11&2bar;) Si directions. The small lattice mismatch of 0.5% results in the growth of pseudomorphic oxide films of high crystalline quality with an average domain size of about 50 nm. The critical thickness tc for pseudomorphic growth amounts to 3.0± 0.5 nm. The relaxation of the oxide film from pseudomorphism to bulk behavior beyond tc causes the introduction of misfit dislocations, the formation of an in-plane small angle mosaicity structure, and the occurence of a phase transition towards a (111) oriented cubic Pr2O3 film structure. The observed phase transition highlights the influence of the epitaxial interface energy on the stability of Pr2O3 phases on Si(111). A mechanism is proposed which transforms the hexagonal (0001) into the cubic (111) Pr2O3 epilayer structure by rearranging the oxygen network but leaving the Pr sublattice almost unmodified. [ABSTRACT FROM AUTHOR]

Published
2005
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35. Effect of pseudomorphic stress on structure and transport properties of ultrathin GdBa[sub 2]Cu[sub 3]O[sub 7] films on (001) SrTiO[sub 3] and NdGaO[sub 3].

Author

Cao, L. X., Zegenhagen, J., Cardona, M., Giannini, C., De Caro, L., and Tapfer, L.

Subjects
*SEMICONDUCTORS, *DENSITY currents
Abstract

We investigated the structure and transport properties of GdBa[sub 2]Cu[sub 3]O[sub 7] films on SrTiO[sub 3](001) and NdGaO[sub 3](001). We found that the films can be grown pseudomorphically up to at least 42 nm thickness on SrTiO[sub 3] whereas the critical thickness is less than 14 nm for films on NdGaO[sub 3]. The carrier density of pseudomorphic films on SrTiO[sub 3] is tuned by the pseudomorphic stress field and films on SrTiO[sub 3] show higher T[sup *] and lower T[sub c] compared to films of the same thickness on NdGaO[sub 3]. For a 28 nm thick GdBa[sub 2]Cu[sub 3]O[sub 7] film on SrTiO[sub 3], the hole density per CuO[sub 2] plane is reduced to 0.12, compared to 0.16 for the optimally doped and stress-free RBa[sub 2]Cu[sub 3]O[sub 7]. The measured temperature dependence of J[sub c] can be understood and described by interface stress pinning. © 2002 American Institute of Physics. [ABSTRACT FROM AUTHOR]

Published
2002
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38. Structure and strain relaxation mechanisms of ultrathin epitaxial Pr2O3 films on Si(111)

Author

Schroeder, T., Mussig, H.-J., Zaumseil, P., Lee, T.-L., Wenger, C., Libralesso, L., Lupina, G., Joumard, I., Lippert, G., Zegenhagen, J., and Dabrowski, J.

Subjects
Dielectric films -- Research, Thin films -- Research, Praseodymium -- Chemical properties, Praseodymium -- Optical properties, Silicon compounds -- Chemical properties, Silicon compounds -- Optical properties, Physics
Abstract

The structure of ultrathin epitaxial Pr2O3 films on Si(111) is studied by synchrotron radiation-grazing incidence x-ray diffraction. The oxide film grows as hexagonal Pr2O3 phase with its (0001) plane attached to the Si(111) substrate.

Published
2005

39. Study of the La-related dipole in TiN/LaOx/HfSiON/SiON/Si gate stacksusing hard X-ray photoelectron spectroscopy and backside mediumenergy ion scattering

Author

Boujamaa, R., Martinez, E., Pierre, F., Renault, O., Detlefs, B., Zegenhagen, J., Baudot, S., Gros-Jean, M., Bertin, F., Dubourdieu, Catherine, Laboratoire des matériaux et du génie physique (LMGP ), Centre National de la Recherche Scientifique (CNRS)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG), LPN-CNRS, Route de Nozay, 91460 Marcoussis, France, Commissariat à l'énergie atomique et aux énergies alternatives - Laboratoire d'Electronique et de Technologie de l'Information (CEA-LETI), Direction de Recherche Technologique (CEA) (DRT (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA), European Synchrotron Radiation Facility (ESRF), Science et Ingénierie des Matériaux et Procédés (SIMaP), Centre National de la Recherche Scientifique (CNRS)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut National Polytechnique de Grenoble (INPG)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), Institut des Nanotechnologies de Lyon (INL), École Centrale de Lyon (ECL), Université de Lyon-Université de Lyon-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-École supérieure de Chimie Physique Electronique de Lyon (CPE)-Institut National des Sciences Appliquées de Lyon (INSA Lyon), and Institut National des Sciences Appliquées (INSA)-Université de Lyon-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)

Subjects
[SPI]Engineering Sciences [physics], [SPI.OPTI]Engineering Sciences [physics]/Optics / Photonic, [SPI.NANO]Engineering Sciences [physics]/Micro and nanotechnologies/Microelectronics, ComputingMilieux_MISCELLANEOUS, [SPI.MAT]Engineering Sciences [physics]/Materials
Abstract

International audience; no abstract

Published
2015

40. Effect of pseudomorphic stress on sructure and transport properties of ultrathin GdBa2Cu3O7 films on (001) SrTiO3 and NdGaO3

Author

Cao, L.X., Zegenhagen, J., Cardona, M., De Caro, C. Giannini L., and Tapfer, L.

Subjects
Gallium -- Structure, Gallium -- Chemical properties, Neodymium -- Structure, Neodymium -- Chemical properties, Titanium compounds -- Structure, Titanium compounds -- Chemical properties, Silicon compounds -- Structure, Silicon compounds -- Chemical properties, Physics
Abstract

The structure and transport properties of GdBa2Cu3O7 films on SiTiO3(001) (STO) and NdGaO3(001) are investigated in order to study the mutual influence of interface stress on them. The transport measurements showed that pseudomorphic films on STO are carrier deficient as a result of the pseudomorphic stress field.

Published
2002

41. Inelastic background analysis of HAXPES spectra: towards enhanced bulk sensitivity in photoemission

Author

Paul Risterucci, Renault, O., Eugenie Martinez, Detlefs, B., Zegenhagen, J., Geneviève Grenet, Tougaard, S., Inl, Laboratoire INL UMR5270, INL - Hétéroepitaxie et Nanostructures (INL - H&N), Institut des Nanotechnologies de Lyon (INL), École Centrale de Lyon (ECL), Université de Lyon-Université de Lyon-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-École supérieure de Chimie Physique Electronique de Lyon (CPE)-Institut National des Sciences Appliquées de Lyon (INSA Lyon), Institut National des Sciences Appliquées (INSA)-Université de Lyon-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-École Centrale de Lyon (ECL), Institut National des Sciences Appliquées (INSA)-Université de Lyon-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), Commissariat à l'énergie atomique et aux énergies alternatives - Laboratoire d'Electronique et de Technologie de l'Information (CEA-LETI), Direction de Recherche Technologique (CEA) (DRT (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA), European Synchrotron Radiation Facility (ESRF), Université de Lyon-École Supérieure de Chimie Physique Électronique de Lyon (CPE)-Institut National des Sciences Appliquées de Lyon (INSA Lyon), Université de Lyon-Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-École Centrale de Lyon (ECL), and Université de Lyon-Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)

Subjects
[SPI]Engineering Sciences [physics], [SPI.OPTI] Engineering Sciences [physics]/Optics / Photonic, [SPI] Engineering Sciences [physics], [SPI.NANO] Engineering Sciences [physics]/Micro and nanotechnologies/Microelectronics, [SPI.OPTI]Engineering Sciences [physics]/Optics / Photonic, [SPI.NANO]Engineering Sciences [physics]/Micro and nanotechnologies/Microelectronics, [SPI.MAT] Engineering Sciences [physics]/Materials, ComputingMilieux_MISCELLANEOUS, [SPI.MAT]Engineering Sciences [physics]/Materials
Abstract

International audience; no abstract

Published
2014

44. Tuning the Structure of Ultrathin BaTiO3 Films on Me(001) (Me = Fe, Pd, Pt) Surfaces

Author

Meyerheim, H. L., Ernst, A., Mohseni, K., Maznichenko, I. V., Henk, J., Ostanin, S., Jedrecy, N., Klimenta, F., Zegenhagen, J., Schlueter, C., Mertig, I., Kirschner, J., Institut des Nanosciences de Paris (INSP), Université Pierre et Marie Curie - Paris 6 (UPMC)-Centre National de la Recherche Scientifique (CNRS), Max-Planck-Institut für Mikrostrukturphysik (MPI-HALLE), Max-Planck-Gesellschaft, and DFG [SFB 762]

Subjects
[PHYS.COND]Physics [physics]/Condensed Matter [cond-mat]
Abstract

International audience; Using surface x-ray diffraction in combination with ab initio calculations, we demonstrate that the atomic structure of ultrathin BaTiO3 (BTO) films grown on Me(001) surfaces (Me = Fe, Pd, Pt) depends on subtle modifications of the interface chemical composition. A complete reversal of the surface termination from a BaO- [BTO on Fe(001)] to a TiO2-terminated film [BTO on Pt(001)] is observed which goes in parallel with the adsorption of submonolayer amounts of oxygen at metal hollow sites of the interface. Our results may suggest a new route to an overall control of both the surface and the interface geometry in BaTiO3/metal contacts.

Published
2013
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46. Plasma Enhanced Atomic Layer Deposition of ZrO2: A Thermodynamic Approach

Author

Blanquet, E., Monnier, D., Nuta, I., Volpi, F., Doisneau, B., Coindeau, S., Roy, J., Detlefs, B., Mi, Y., Zegenhagen, J., Martinet, C., Wyon, C., Gros-Jean, M., Science et Ingénierie des Matériaux et Procédés (SIMaP), Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), European Synchrotron Radiation Facility (ESRF), and Champion, Yannick

Subjects
[CHIM.MATE] Chemical Sciences/Material chemistry, [CHIM.MATE]Chemical Sciences/Material chemistry, ComputingMilieux_MISCELLANEOUS
Abstract

International audience

Published
2011

47. Geometric structure of TiO2(110)(1X1): Confirming experimental conclusions

Author

Busayaporn, W., Torrelles, X., Wander, A., Tomic, S., Ernst, A., Montanari, B., Harrison, N. M., Bikondoa, O., Joumard, I., Zegenhagen, J., Cabailh, Gregory, Thornton, G., Lindsay, R., European Synchrotron Radiation Facility (ESRF), SPINtronique et TEchnologie des Composants (SPINTEC), Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019])-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Direction de Recherche Fondamentale (CEA) (DRF (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Direction de Recherche Fondamentale (CEA) (DRF (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Institut des Nanosciences de Paris (INSP), Université Pierre et Marie Curie - Paris 6 (UPMC)-Centre National de la Recherche Scientifique (CNRS), Polar Science Center [Seattle], Applied Physics Laboratory [Seattle] (APL-UW), University of Washington [Seattle]-University of Washington [Seattle], EPSRC (U.K.), MCINN (Spain) [CSD2007-00041, MAT2009-09308], and EU

Subjects
[PHYS.COND]Physics [physics]/Condensed Matter [cond-mat]
Abstract

International audience; Low-energy electron-diffraction and surface x-ray diffraction data acquired from TiO2(110)(1X1) are re-analyzed to confirm the integrity of the previously reported optimized geometries. This work is performed in response to ab initio density-functional theory calculations that suggest that the atomic displacements determined from low-energy electron-diffraction measurements may be compromised by the limited number of optimized atom positions. Performing structural optimizations as a function of depth into the selvedge, this present study validates the previous experimental structure determinations.

Published
2010
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48. Geometric Structure of TiO 2 ( 011 ) ( 2 × 1 )

Author

Torrelles , X., Cabailh , Gregory, Lindsay , R., Bikondoa , O., Roy , J., Zegenhagen , J., Teobaldi , G., Hofer , W. A., Thornton , G., Institut de Ciència de Materials de Barcelona ( ICMAB ), Consejo Superior de Investigaciones Científicas [Spain] ( CSIC ), London Centre for Nanotechnology, University College of London [London] ( UCL ), School of Materials [Manchester], University of Manchester [Manchester], European Synchrotron Radiation Facility ( ESRF ), Surface Sci Res Ctr, Univ Liverpool, Institut de Ciència de Materials de Barcelona (ICMAB), Consejo Superior de Investigaciones Científicas [Madrid] (CSIC), University College of London [London] (UCL), and European Synchrotron Radiation Facility (ESRF)

Subjects
[PHYS]Physics [physics], [ PHYS ] Physics [physics], ComputingMilieux_MISCELLANEOUS
Abstract

International audience

Published
2008
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49. Atomic-scale structure of the SrTiO3(001)-c(6x2) reconstruction: Experiments and first-principles calculations

Author

Lanier, C. H., van de Walle, A., Erdman, N., Landree, E., Warschkow, O., Kazimirov, A., Poeppelmeier, K. R., Zegenhagen, J., Asta, M., and Marks, L. D.

Subjects
Condensed Matter - Materials Science, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences
Abstract

The c(6x2) is a reconstruction of the SrTiO3(001) surface that is formed between 1050-1100oC in oxidizing annealing conditions. This work proposes a model for the atomic structure for the c(6x2) obtained through a combination of results from transmission electron diffraction, surface x-ray diffraction, direct methods analysis, computational combinational screening, and density functional theory. As it is formed at high temperatures, the surface is complex and can be described as a short-range ordered phase featuring microscopic domains composed of four main structural motifs. Additionally, non-periodic TiO2 units are present on the surface. Simulated scanning tunneling microscopy images based on the electronic structure calculations are consistent with experimental images.

Published
2007

50. Geometric structure of Ti O 2 ( 110 ) ( 1 × 1 ) : Achieving experimental consensus

Author

Cabailh , Gregory, Torrelles , X., Lindsay , R., Bikondoa , O., Joumard , I., Zegenhagen , J., Thornton , G., London Centre for Nanotechnology, University College of London [London] ( UCL ), Institut de Ciència de Materials de Barcelona ( ICMAB ), Consejo Superior de Investigaciones Científicas [Spain] ( CSIC ), School of Materials [Manchester], University of Manchester [Manchester], European Synchrotron Radiation Facility ( ESRF ), University College of London [London] (UCL), Institut de Ciència de Materials de Barcelona (ICMAB), Consejo Superior de Investigaciones Científicas [Madrid] (CSIC), and European Synchrotron Radiation Facility (ESRF)

Subjects
[PHYS]Physics [physics], [ PHYS ] Physics [physics], ComputingMilieux_MISCELLANEOUS
Abstract

International audience

Published
2007
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